Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S,3S,4R,5R)-5-(2-chloro-6-(4-(2-(cyclohexylamino)-2-oxoethoxy)phenylamino)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
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 PubChem ID
CID: 44423838
Canonical SMILES
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NC4CCCCC4)cc3)nc(Cl)nc12
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Compound Formula C26H32ClN7O6
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A1
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
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Nucleotide-like receptor (family A GPCR)
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Adenosine receptor
Uniprot ID
P30542
Gene Name
ADORA1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 30.8 nM
   TI
   LI
   LO
   TS